N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide

C18H19N3O — CID 4753703

IUPACN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide
SMILESCCC(=O)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O/c1-2-17(22)19-16(12-13-8-4-3-5-9-13)18-20-14-10-6-7-11-15(14)21-18/h3-11,16H,2,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyDYSCTYPIDNOFOL-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide

N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide (PubChem CID 4753703) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide
PubChem CID4753703
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide
SMILESCCC(=O)NC(Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O/c1-2-17(22)19-16(12-13-8-4-3-5-9-13)18-20-14-10-6-7-11-15(14)21-18/h3-11,16H,2,12H2,1H3,(H,19,22)(H,20,21)
InChIKeyDYSCTYPIDNOFOL-UHFFFAOYSA-N
XLogP3.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide (CID 4753703) is N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide is CCC(=O)NC(Cc1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide?
The InChIKey is DYSCTYPIDNOFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-17(22)19-16(12-13-8-4-3-5-9-13)18-20-14-10-6-7-11-15(14)21-18/h3-11,16H,2,12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide?
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]propanamide is sourced from PubChem (CID 4753703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).